REMARK Name = BDB026983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.169 -1.381 -0.393 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.865 -2.868 -0.501 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.456 -3.590 0.630 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.158 -4.950 0.536 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.262 -5.605 -0.690 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.661 -4.900 -1.824 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.959 -3.539 -1.731 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.037 -0.544 -1.052 0.00 0.00 +0.204 C ATOM 9 O LIG 1 -1.156 -0.042 -2.173 0.00 0.00 -0.288 OA BRANCH 8 17 ATOM 10 C LIG 1 2.054 -0.592 2.824 0.00 0.00 +0.086 C ATOM 11 C LIG 1 1.494 -0.380 1.466 0.00 0.00 +0.112 A ATOM 12 N LIG 1 2.213 0.191 0.430 0.00 0.00 -0.302 N ATOM 13 C LIG 1 1.369 0.222 -0.668 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.881 0.774 -1.872 0.00 0.00 +0.029 A ATOM 15 C LIG 1 3.143 1.242 -1.902 0.00 0.00 +0.012 A ATOM 16 C LIG 1 4.032 1.209 -0.731 0.00 0.00 +0.002 A ATOM 17 C LIG 1 0.179 -0.346 -0.253 0.00 0.00 +0.134 A ATOM 18 C LIG 1 3.522 0.673 0.401 0.00 0.00 +0.101 A ATOM 19 N LIG 1 0.273 -0.699 1.083 0.00 0.00 -0.229 NA BRANCH 16 20 ATOM 20 C LIG 1 5.367 1.726 -0.809 0.00 0.00 +0.021 A ATOM 21 C LIG 1 6.451 1.342 -0.046 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.506 2.096 -0.476 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.863 2.051 0.011 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.186 2.953 -1.462 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.885 2.726 -1.664 0.00 0.00 +0.143 A ENDBRANCH 16 20 ENDBRANCH 8 17 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.475 -1.042 -1.022 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.484 -0.041 -1.227 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.640 -1.393 -0.205 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.823 -0.599 1.103 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.789 0.903 0.925 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.703 1.649 1.403 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.662 3.034 1.224 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.708 3.688 0.567 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.795 2.950 0.090 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.835 1.565 0.269 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.667 5.110 0.387 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.635 6.261 0.245 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9